REMARK  Name = BDB037118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.089   0.805  -0.541  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1        0.012   0.772  -1.937  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1       -0.516   0.110  -2.494  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        0.763   1.292   0.185  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -2.422  -0.725   2.014  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1       -3.558  -1.021   1.241  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -3.563  -0.695  -0.128  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -2.454  -0.094  -0.727  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.315   0.180   0.035  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -1.308  -0.135   1.405  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -1.407  -0.673   4.177  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -2.499  -1.049   3.343  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1       -4.791  -1.652   1.850  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -5.885  -0.692   1.938  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -6.907  -0.748   1.055  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -7.691   0.269   1.421  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -7.201   0.948   2.553  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -6.039   0.292   2.876  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1        1.314   1.361  -2.793  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1        1.134   0.914  -4.160  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        1.441   2.774  -2.501  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        2.707   0.498  -2.121  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1        2.750  -0.899  -2.147  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1        3.867  -1.532  -1.604  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1        4.919  -0.778  -1.066  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        4.901   0.628  -1.043  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        3.767   1.248  -1.584  0.00  0.00    +0.036 A 
BRANCH  26  28
ATOM     28  C   LIG    1        6.072   1.380  -0.439  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1        5.850   2.162   0.834  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1        6.192   2.883  -0.435  0.00  0.00    +0.009 C 
ENDBRANCH  26  28
BRANCH  23  31
ATOM     31  O   LIG    1        1.670  -1.574  -2.648  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1        1.932  -2.869  -3.180  0.00  0.00    +0.277 C 
ENDBRANCH  23  31
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 8